Cas no 66132-81-8 (butyl (phenylsulfanyl)acetate)
butyl (phenylsulfanyl)acetate structure
Product Name:butyl (phenylsulfanyl)acetate
CAS No:66132-81-8
MF:C12H16O2S
MW:224.319242477417
CID:1709746
PubChem ID:181774
Update Time:2025-04-21
butyl (phenylsulfanyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- butyl (phenylsulfanyl)acetate
- butyl 2-phenylsulfanylacetate
- 2-(Phenylthio)acetic acid butyl ester
- Acetic acid, 2-(phenylthio)-, butyl ester
- 66132-81-8
- DTXSID80216329
- (Phenylthio)acetic acid, butyl ester
- AKOS008951730
- MPGIAEVWEVYNKM-UHFFFAOYSA-N
-
- Inchi： 1S/C12H16O2S/c1-2-3-9-14-12(13)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
- InChI Key： MPGIAEVWEVYNKM-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)CC(=O)OCCCC
Computed Properties
- Exact Mass: 224.08718
- Monoisotopic Mass: 224.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 26.3
butyl (phenylsulfanyl)acetate Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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